SCHEMBL3203823

SCHEMBL3203823

O=C(O)CCNC(=O)c1ccncc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.76
CYP2C19 P33261 2/20 0.76
CYP2C9 P11712 1/20 0.76
RAB9A P51151 1/20 0.63
EPHX2 P34913 1/20 0.59
NAAA Q02083 1/20 0.58
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
MAPK1 P28482 1/20 0.56
MAPT P10636 1/20 0.55
KDM4E B2RXH2 1/20 0.55
MPO P05164 1/20 0.55
CYP3A4 P08684 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2A6 P11509 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ALDH1A1 P00352 2/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7825903 0.89 CYP1A2 (0.88) CYP1A2CYP2C19CYP2C9RAB9AEPHX2
SCHEMBL10102739 0.86 CYP1A2 (1.00) CYP1A2CYP2C19CYP2C9RAB9AEPHX2
SCHEMBL9339173 0.86 MAPT (0.69) CYP1A2CYP2C19CYP2C9RAB9AEPHX2
SCHEMBL9717434 0.86 MAPK1 (0.71) CYP1A2CYP2C19CYP2C9CA1CA2
SCHEMBL7868059 0.85 NAAA (0.63) CYP1A2CYP2C19CYP2C9RAB9AEPHX2
Betamipron SCHEMBL4498475 0.82 PRSS1 (0.70) RAB9AEPHX2NAAACA1CA2
Betamipron SCHEMBL605899 0.82 PRSS1 (0.70) RAB9AEPHX2NAAACA1CA2
SCHEMBL7402710 0.82 DRD2 (0.59) CYP1A2CYP2C19CYP2C9
SCHEMBL7401272 0.82 HDAC3 (0.64) CYP1A2CYP2C19CYP2C9RAB9ACA1
SCHEMBL16469025 0.81 NAAA (0.83) CYP1A2CYP2C19CYP2C9RAB9AEPHX2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8937090-B2 Parakeratosis inhibitor, pore-shrinking agent and external composition for skin SHISEIDO COMPANY, LTD. (JP) 2015-01-20 US disclosed
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin SHISEIDO COMPANY, LTD. (JP) 2012-09-13 US disclosed
US-20120165409-A1 WRINKLE-IMPROVING AGENT SHISEIDO COMPANY, LTD. (JP) 2012-06-28 US disclosed
US-20100035881-A1 WRINKLE-IMPROVING AGENT SHISEIDO COMPANY, LTD. (JP) 2010-02-11 US disclosed
EP-1941861-A1 WRINKLE-IMPROVING AGENT Shiseido Company, Limited (JP) 2008-07-09 EP disclosed
EP-1880711-A1 PARAKERATOSIS INHIBITOR, PORE-SHRINKING AGENT AND EXTERNAL COMPOSITION FOR SKIN Shiseido Company, Limited (JP) 2008-01-23 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100035881-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 CYP1A2 3833/4885CYP2C19 4474/4885CYP2C9 4495/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 CYP1A2 3980/4885CYP2C19 4494/4885CYP2C9 4638/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 CYP1A2 3658/4885CYP2C19 4454/4885CYP2C9 4491/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.